Figure 5
From: Shear-activation of mechanochemical reactions through molecular deformation
Bond length distributions of cyclohexene molecules at equilibrium (black distributions) and prior to oligomerization reactions (red distributions). The equilibrium distributions were calculated from intact cyclohexene molecules in the first 50 ps of simulation during which no mechanical stress was applied. The red distributions were calculated from intact cyclohexene molecules that were within 5 ps of participating in an oligomerization reaction. The blue dotted lines show the difference between the red (pre-reaction) and black (equilibrium) distributions.
